Scytophycin B

N-[(E,3R,4R,5R,9R,10S,11S)-10-hydroxy-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide

Also Known As: Scytophycin B|N-[(E,3R,4R,5R,9R,10S,11S)-10-hydroxy-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide

Molecular Formula	C45H73NO12
Molecular Weight	819.5133 g/mol
LogP	5.3709
Topological Polar Surface Area	162.82 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	16
Exact Mass	819.5133
Monoisotopic Mass	819.5133
Heavy Atoms	58
Complexity	1409.3014

Chemical Identifiers

CAS Number	104653-86-3
SMILES	C[C@H]1[C@@H](C[C@@H](C2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C/C=C(\C=C/C(=O)OC1[C@@H](C)[C@H]([C@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)/C)O)OC)OC)OC